N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 612261
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCCn1ncc(c1)C
• Canonical SMILES: Cc1cnn(c1)CCCNC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C15H17N5O/c1-12-9-18-20(10-12)7-2-5-17-15(21)13-3-4-14-16-6-8-19(14)11-13/h3-4,6,8-11H,2,5,7H2,1H3,(H,17,21)
• InChIKey: VCTONPLYZHHLET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[3-(4-methylpyrazol-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.277589
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.0040377937
• LogD (pH = 7.4): 0.61187124
• Log P: 0.6368278
• Molar Refractivity: 92.8105 cm^3
• Polarizability: 29.82095 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.98
• LOG S: -2.1
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5